1-(5,7-dinitroquinolin-8-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(5,7-dinitroquinolin-8-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(5,7-dinitro-8-quinolyl)thiourea CAS Name: 1-(5,7-dinitro-8-quinolinyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(5,7-dinitroquinolin-8-yl)thiourea Traditional Name: 1-benzyl-3-(5,7-dinitro-8-quinolyl)thiourea Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4S/c23-21(24)13-9-14(22(25)26)16(15-12(13)7-4-8-18-15)20-17(27)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,19,20,27)